UCSF

ZINC12020839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 5.44 -62.63 2 9 1 106 462.548 8
Mid Mid (pH 6-8) 1.32 2.89 -25.3 1 9 0 105 461.54 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )